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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:25 UTC
Update Date2025-03-25 00:52:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195306
Frequency0.5
Structure
Chemical FormulaC14H13NO3
Molecular Mass243.0895
SMILESCC1C(=O)CC(c2c[nH]c3ccccc23)OC1=O
InChI KeyASXSWRBDYWYFFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • benzenoids
  • carboxylic acid esters
  • cyclic ketones
  • delta valerolactones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyrroles
    • Substituents
  • carbonyl group
  • indole
  • delta valerolactone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • delta_valerolactone
  • azacycle
  • heteroaromatic compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound